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25I-NB4OMe AC
SpectraBase Compound ID 4iLsu5gOEVt
InChI InChI=1S/C20H24INO4/c1-14(23)22(13-15-5-7-17(24-2)8-6-15)10-9-16-11-20(26-4)18(21)12-19(16)25-3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey CMWLPHHQFDQMAR-UHFFFAOYSA-N
Mol Weight 469.32 g/mol
Molecular Formula C20H24INO4
Exact Mass 469.075003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKO3ZwedrXQ
Name 25I-NB4OMe AC
Classification Designer drug
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Exact Mass 469.075003253 u
Formula C20H24NO4I
InChI InChI=1S/C20H24INO4/c1-14(23)22(13-15-5-7-17(24-2)8-6-15)10-9-16-11-20(26-4)18(21)12-19(16)25-3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey CMWLPHHQFDQMAR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 469.319 g/mol
SMILES c1c(I)c(cc(c1OC)CCN(Cc1ccc(cc1)OC)C(=O)C)OC
SPLASH splash10-006x-4890100000-48794fa958b3944dc109
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_9756